ergo
PuriInfo Class Reference

#include <puri_info.h>

Public Types

typedef ergo_real real
 

Public Member Functions

 PuriInfo ()
 
void print_collected_info ()
 
void print_collected_info_printf ()
 
real get_total_Xsquare_time ()
 
real get_total_Xtrunc_time ()
 
real get_total_purify_time ()
 
real get_total_stopping_criterion_time ()
 
real get_total_trace_diff_time ()
 
real get_total_frob_diff_time ()
 
real get_total_mixed_diff_time ()
 
real get_total_eucl_diff_time ()
 
real get_total_inf_diff_time ()
 
real get_total_nnz_time ()
 
void get_poly_seq (std::vector< int > &norms)
 
void get_vec_frob_norms (std::vector< real > &norms)
 
void get_vec_infty_norms (std::vector< real > &norms)
 
void get_vec_mixed_norms (std::vector< real > &norms)
 
void get_vec_traces (std::vector< real > &traces)
 
void get_spectrum_bounds (real &lower_spectrum_bound_, real &upper_spectrum_bound_) const
 
void set_spectrum_bounds (const real lower_spectrum_bound_, const real upper_spectrum_bound_)
 

Public Attributes

int method
 
int stopping_criterion
 
real norm_F_Fprev
 
real total_time
 
int total_it
 
real time_spectrum_bounds
 
int estim_total_it
 
int additional_iterations
 
int converged
 
real error_subspace
 
real accumulated_error_subspace
 
real accumulated_time_calls_for_eigenvec_functions
 
real homo_estim_upp_F
 
real homo_estim_low_F
 
real lumo_estim_upp_F
 
real lumo_estim_low_F
 
bool compute_eigenvectors_in_this_SCF_cycle
 
bool homo_eigenvector_is_computed
 
bool lumo_eigenvector_is_computed
 
int homo_eigenvector_is_computed_in_iter
 
int lumo_eigenvector_is_computed_in_iter
 
int homo_eigensolver_iter
 
int lumo_eigensolver_iter
 
double homo_eigensolver_time
 
double lumo_eigensolver_time
 
real eigValHOMO
 
real eigValLUMO
 
std::vector< IterationInfoIterations
 
int debug_output
 
real upper_spectrum_bound
 
real lower_spectrum_bound
 

Member Typedef Documentation

◆ real

Constructor & Destructor Documentation

◆ PuriInfo()

PuriInfo::PuriInfo ( )
inline

Member Function Documentation

◆ get_poly_seq()

void PuriInfo::get_poly_seq ( std::vector< int > &  norms)

References Iterations, and total_it.

◆ get_spectrum_bounds()

void PuriInfo::get_spectrum_bounds ( real lower_spectrum_bound_,
real upper_spectrum_bound_ 
) const

◆ get_total_eucl_diff_time()

real PuriInfo::get_total_eucl_diff_time ( )

◆ get_total_frob_diff_time()

real PuriInfo::get_total_frob_diff_time ( )

◆ get_total_inf_diff_time()

real PuriInfo::get_total_inf_diff_time ( )

◆ get_total_mixed_diff_time()

real PuriInfo::get_total_mixed_diff_time ( )

◆ get_total_nnz_time()

real PuriInfo::get_total_nnz_time ( )

◆ get_total_purify_time()

real PuriInfo::get_total_purify_time ( )

◆ get_total_stopping_criterion_time()

real PuriInfo::get_total_stopping_criterion_time ( )

◆ get_total_trace_diff_time()

real PuriInfo::get_total_trace_diff_time ( )

◆ get_total_Xsquare_time()

real PuriInfo::get_total_Xsquare_time ( )

◆ get_total_Xtrunc_time()

real PuriInfo::get_total_Xtrunc_time ( )

◆ get_vec_frob_norms()

void PuriInfo::get_vec_frob_norms ( std::vector< real > &  norms)

References Iterations, and total_it.

◆ get_vec_infty_norms()

void PuriInfo::get_vec_infty_norms ( std::vector< real > &  norms)

References Iterations, and total_it.

◆ get_vec_mixed_norms()

void PuriInfo::get_vec_mixed_norms ( std::vector< real > &  norms)

References Iterations, and total_it.

◆ get_vec_traces()

void PuriInfo::get_vec_traces ( std::vector< real > &  traces)

References Iterations, and total_it.

◆ print_collected_info()

◆ print_collected_info_printf()

void PuriInfo::print_collected_info_printf ( )

◆ set_spectrum_bounds()

void PuriInfo::set_spectrum_bounds ( const real  lower_spectrum_bound_,
const real  upper_spectrum_bound_ 
)

Member Data Documentation

◆ accumulated_error_subspace

real PuriInfo::accumulated_error_subspace

◆ accumulated_time_calls_for_eigenvec_functions

real PuriInfo::accumulated_time_calls_for_eigenvec_functions

◆ additional_iterations

int PuriInfo::additional_iterations

◆ compute_eigenvectors_in_this_SCF_cycle

bool PuriInfo::compute_eigenvectors_in_this_SCF_cycle

◆ converged

int PuriInfo::converged

◆ debug_output

int PuriInfo::debug_output

◆ eigValHOMO

real PuriInfo::eigValHOMO

◆ eigValLUMO

real PuriInfo::eigValLUMO

◆ error_subspace

real PuriInfo::error_subspace

Referenced by main().

◆ estim_total_it

int PuriInfo::estim_total_it

◆ homo_eigensolver_iter

int PuriInfo::homo_eigensolver_iter

◆ homo_eigensolver_time

double PuriInfo::homo_eigensolver_time

◆ homo_eigenvector_is_computed

bool PuriInfo::homo_eigenvector_is_computed

◆ homo_eigenvector_is_computed_in_iter

int PuriInfo::homo_eigenvector_is_computed_in_iter

◆ homo_estim_low_F

real PuriInfo::homo_estim_low_F

◆ homo_estim_upp_F

real PuriInfo::homo_estim_upp_F

◆ Iterations

◆ lower_spectrum_bound

real PuriInfo::lower_spectrum_bound

◆ lumo_eigensolver_iter

int PuriInfo::lumo_eigensolver_iter

◆ lumo_eigensolver_time

double PuriInfo::lumo_eigensolver_time

◆ lumo_eigenvector_is_computed

bool PuriInfo::lumo_eigenvector_is_computed

◆ lumo_eigenvector_is_computed_in_iter

int PuriInfo::lumo_eigenvector_is_computed_in_iter

◆ lumo_estim_low_F

real PuriInfo::lumo_estim_low_F

◆ lumo_estim_upp_F

real PuriInfo::lumo_estim_upp_F

◆ method

◆ norm_F_Fprev

real PuriInfo::norm_F_Fprev

◆ stopping_criterion

int PuriInfo::stopping_criterion

◆ time_spectrum_bounds

real PuriInfo::time_spectrum_bounds

◆ total_it

◆ total_time

real PuriInfo::total_time

◆ upper_spectrum_bound

real PuriInfo::upper_spectrum_bound

The documentation for this class was generated from the following files: